N-[[1-[[(5S)-5-hydroxy-5,6,7,8-tetrahydronaphthalen-2-yl]methyl]piperidin-2-yl]methyl]-N-phenylpropanamide

C26H34N2O2 — CID 127037397

IUPACN-[[1-[[(5S)-5-hydroxy-5,6,7,8-tetrahydronaphthalen-2-yl]methyl]piperidin-2-yl]methyl]-N-phenylpropanamide
SMILESCCC(=O)N(CC1CCCCN1Cc1ccc2c(c1)CCC[C@@H]2O)c1ccccc1
InChIInChI=1S/C26H34N2O2/c1-2-26(30)28(22-10-4-3-5-11-22)19-23-12-6-7-16-27(23)18-20-14-15-24-21(17-20)9-8-13-25(24)29/h3-5,10-11,14-15,17,23,25,29H,2,6-9,12-13,16,18-19H2,1H3/t23?,25-/m0/s1
InChIKeyMSWKQEUSFJHFAI-YNMFNDETSA-N
MW406.57 g/mol
LogP4.85
Rot. Bonds6

About N-[[1-[[(5S)-5-hydroxy-5,6,7,8-tetrahydronaphthalen-2-yl]methyl]piperidin-2-yl]methyl]-N-phenylpropanamide

N-[[1-[[(5S)-5-hydroxy-5,6,7,8-tetrahydronaphthalen-2-yl]methyl]piperidin-2-yl]methyl]-N-phenylpropanamide (PubChem CID 127037397) has the molecular formula C26H34N2O2 and a molecular weight of 406.57 g/mol. Its IUPAC name is N-[[1-[[(5S)-5-hydroxy-5,6,7,8-tetrahydronaphthalen-2-yl]methyl]piperidin-2-yl]methyl]-N-phenylpropanamide.

Molecular Properties

Compound NameN-[[1-[[(5S)-5-hydroxy-5,6,7,8-tetrahydronaphthalen-2-yl]methyl]piperidin-2-yl]methyl]-N-phenylpropanamide
PubChem CID127037397
Molecular FormulaC26H34N2O2
Molecular Weight406.57 g/mol
Exact Mass406.26
IUPAC NameN-[[1-[[(5S)-5-hydroxy-5,6,7,8-tetrahydronaphthalen-2-yl]methyl]piperidin-2-yl]methyl]-N-phenylpropanamide
SMILESCCC(=O)N(CC1CCCCN1Cc1ccc2c(c1)CCC[C@@H]2O)c1ccccc1
InChIInChI=1S/C26H34N2O2/c1-2-26(30)28(22-10-4-3-5-11-22)19-23-12-6-7-16-27(23)18-20-14-15-24-21(17-20)9-8-13-25(24)29/h3-5,10-11,14-15,17,23,25,29H,2,6-9,12-13,16,18-19H2,1H3/t23?,25-/m0/s1
InChIKeyMSWKQEUSFJHFAI-YNMFNDETSA-N
XLogP4.85
TPSA43.78 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500406.57
LogP ≤ 54.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[[1-[[(5S)-5-hydroxy-5,6,7,8-tetrahydronaphthalen-2-yl]methyl]piperidin-2-yl]methyl]-N-phenylpropanamide?
The IUPAC name of N-[[1-[[(5S)-5-hydroxy-5,6,7,8-tetrahydronaphthalen-2-yl]methyl]piperidin-2-yl]methyl]-N-phenylpropanamide (CID 127037397) is N-[[1-[[(5S)-5-hydroxy-5,6,7,8-tetrahydronaphthalen-2-yl]methyl]piperidin-2-yl]methyl]-N-phenylpropanamide.
What is the SMILES notation for N-[[1-[[(5S)-5-hydroxy-5,6,7,8-tetrahydronaphthalen-2-yl]methyl]piperidin-2-yl]methyl]-N-phenylpropanamide?
The canonical SMILES for N-[[1-[[(5S)-5-hydroxy-5,6,7,8-tetrahydronaphthalen-2-yl]methyl]piperidin-2-yl]methyl]-N-phenylpropanamide is CCC(=O)N(CC1CCCCN1Cc1ccc2c(c1)CCC[C@@H]2O)c1ccccc1.
What is the InChIKey of N-[[1-[[(5S)-5-hydroxy-5,6,7,8-tetrahydronaphthalen-2-yl]methyl]piperidin-2-yl]methyl]-N-phenylpropanamide?
The InChIKey is MSWKQEUSFJHFAI-YNMFNDETSA-N. The full InChI is InChI=1S/C26H34N2O2/c1-2-26(30)28(22-10-4-3-5-11-22)19-23-12-6-7-16-27(23)18-20-14-15-24-21(17-20)9-8-13-25(24)29/h3-5,10-11,14-15,17,23,25,29H,2,6-9,12-13,16,18-19H2,1H3/t23?,25-/m0/s1.
What are the key properties of N-[[1-[[(5S)-5-hydroxy-5,6,7,8-tetrahydronaphthalen-2-yl]methyl]piperidin-2-yl]methyl]-N-phenylpropanamide?
N-[[1-[[(5S)-5-hydroxy-5,6,7,8-tetrahydronaphthalen-2-yl]methyl]piperidin-2-yl]methyl]-N-phenylpropanamide has a molecular weight of 406.57 g/mol, XLogP of 4.85, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-[[(5S)-5-hydroxy-5,6,7,8-tetrahydronaphthalen-2-yl]methyl]piperidin-2-yl]methyl]-N-phenylpropanamide is sourced from PubChem (CID 127037397), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).